Dyfuzja gazów szlachetnych

w nanoporach materiałów węglowych

Piotr A. Gauden1, Sylwester Furmaniak1, Wojciech Zieliński1,

Piotr Kowalczyk2

1 Faculty of Chemistry, Physicochemistry of Carbon Materials Research Group,

Nicolaus Copernicus University in Toruń, Gagarin St. 7, 87–100 Toruń, Poland

2 School of Engineering and Information Technology, Murdoch University, Murdoch,

Western Australia 6150, Australia

e-mail: gaudi@umk.pl

KONFERENCJĘ UŻYTKOWNIKÓW KDM 2017

„Nowe trendy w użytkowaniu KDM”

p6mmIa3d,

Pm3n

Im3m

Fd3m

Fm3m.

MCM-48

FDU-2SBA-16 KIT-5

SBA-1 and 6

SBA-15

OMC

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

Why noble gases… ?

Helium is a rare gas with a wide range of applications

(e.g., lasers, fluorescent light fixtures, medical imaging, cooling technologies,

nuclear physics, diving technologies, and others).

Industrial technologies currently being used for purification

include combined cryogenic distillation and adsorption technologies

(e.g., pressure-swing adsorption, vacuum pressure swing adsorption,

and temperature swing adsorption).

Similarly, resources of He (e.g., natural gas, air, and waste gases of

ammonia synthesis) are composed of various small particles

(such as CH4, CO, Ar, Ne, O2, and others) that need to be

removed through purification processes.

Separation of fluid mixtures consisting of light particles (such as He and H2) is a far more

challenging problem. This is because the surface forces (i.e., short range London dispersion

interaction between light particles and solid atoms) are very weak.

Due to the small size of He atoms, the diffusion rate through

materials is a very fast process.

The main aim: looking for new carbon materials!

fcc-C10

298 K

Carbon cavities of fcc-C10 carbon polymorph

(with effective size of ~3.5-4 Å) are

kinetically closed for common gaseous

contaminates of helium fluid (including: Ne,

Ar, H2, and CO).

Because the sizes of nanowindows connecting

carbon cavities are comparable with the

effective size of He atom (~2.556 Å), we

predicted a significant resistance for self-

diffusion of He in fcc-C10 crystal.

Computed self-diffusion coefficients ~ 1.3 10-6

– 1.3 10-7 cm2/s for He inside fcc-C10 fall in the

range characteristic for molecular diffusion in

zeolites.

Infrequent “jumps” of He atoms between

neighboring carbon cavities and kinetic

rejection of other gaseous particles indicate

potential application of fcc-C10 carbon

polymorph for kinetic molecular sieving of He

near ambient temperatures.

Carbon cavities of fcc-C10 carbon polymorph

(with effective size of ~3.5-4 Å) are kinetically

closed for common gaseous contaminates of

helium fluid (including: Ne, Ar, H2, and CO).

Because the sizes of nanowindows connecting

carbon cavities are comparable with the

effective size of He atom (~2.556 Å), we

predicted a significant resistance for self-

diffusion of He in fcc-C10 crystal.

Computed self-diffusion coefficients ~ 1.3 10-6

– 1.3 10-7 cm2/s for He inside fcc-C10 fall in the

range characteristic for molecular diffusion in

zeolites.

Infrequent “jumps” of He atoms between

neighboring carbon cavities and kinetic

rejection of other gaseous particles indicate

potential application of fcc-C10 carbon

polymorph for kinetic molecular sieving of He

near ambient temperatures.

Carbon cavities of fcc-C10 carbon polymorph

(with effective size of ~3.5-4 Å) are kinetically

closed for common gaseous contaminates of

helium fluid (including: Ne, Ar, H2, and CO).

Because the sizes of nanowindows connecting

carbon cavities are comparable with the

effective size of He atom (~2.556 Å), we

predicted a significant resistance for self-

diffusion of He in fcc-C10 crystal.

Computed self-diffusion coefficients

~ 1.3 10-6 – 1.3 10-7 cm2/s for He inside fcc-C10

fall in the range characteristic for molecular

diffusion in zeolites.

Infrequent “jumps” of He atoms between

neighboring carbon cavities and kinetic

rejection of other gaseous particles indicate

potential application of fcc-C10 carbon

polymorph for kinetic molecular sieving of He

near ambient temperatures.

Carbon cavities of fcc-C10 carbon polymorph

(with effective size of ~3.5-4 Å) are kinetically

closed for common gaseous contaminates of

helium fluid (including: Ne, Ar, H2, and CO).

Because the sizes of nanowindows connecting

carbon cavities are comparable with the

effective size of He atom (~2.556 Å), we

predicted a significant resistance for self-

diffusion of He in fcc-C10 crystal.

Computed self-diffusion coefficients ~ 1.3 10-6

– 1.3 10-7 cm2/s for He inside fcc-C10 fall in the

range characteristic for molecular diffusion in

zeolites.

Infrequent “jumps” of He atoms between

neighboring carbon cavities and kinetic

rejection of other gaseous particles indicate

potential application of fcc-C10 carbon

polymorph for kinetic molecular sieving of

He near ambient temperatures.

p6mmIa3d,

Pm3n

Im3m

Fd3m

Fm3m.

MCM-48

FDU-2SBA-16 KIT-5

SBA-1 and 6

SBA-15

OMC

CO2/CH4, CO2/N2, and CH4/N2 mixtures

77 K

We find that selective

separation of Ne from

diluted Ne-He mixtures on

microporous GNCs is driven

by preferential adsorption

of Ne at 77 K.

High adsorption-driven

selectivity of Ne over He at

zero coverage is

compensated by an

unfavourable Ne/He kinetic

selectivity (e.g. faster

diffusion of He).

A detailed analysis of

theoretical and simulation

results indicates that precise

tuning of curved graphene

ultramicropores in gyroidal

carbon networks to ~0.53 nm

is a key for fabrication of

selective carbon membranes

for cryogenic separation

technologies.

We find that selective

separation of Ne from

diluted Ne-He mixtures on

microporous GNCs is driven

by preferential adsorption of

Ne at 77 K.

High adsorption-driven

selectivity of Ne over He at

zero coverage is

compensated by an

unfavourable Ne/He kinetic

selectivity (e.g. faster

diffusion of He).

A detailed analysis of

theoretical and simulation

results indicates that precise

tuning of curved graphene

ultramicropores in gyroidal

carbon networks to ~0.53 nm

is a key for fabrication of

selective carbon membranes

for cryogenic separation

technologies.

We find that selective

separation of Ne from

diluted Ne-He mixtures on

microporous GNCs is driven

by preferential adsorption of

Ne at 77 K.

High adsorption-driven

selectivity of Ne over He at

zero coverage is

compensated by an

unfavourable Ne/He kinetic

selectivity (e.g. faster

diffusion of He).

A detailed analysis of

theoretical and simulation

results indicates that precise

tuning of curved graphene

ultramicropores in gyroidal

carbon networks to ~0.53

nm is a key for fabrication

of selective carbon

membranes for cryogenic

separation technologies.

a high-resolution and multimaterial 3D

printer, Object500,

made by Stratasys, which allowed us to print

complex geometries at 20-mm

resolution

Virtual Porous Carbons (VPCs)

[S. Furmaniak, Comput. Methods Sci. Technol. 19 (2013) 47 ]

Ar, 87 K

Ar, 87 K

Rn, 298 K

Rn, 298 K

Thank you